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Identification of Jahn–Teller Effects in both Singlet and Triplet Low‐Energy States of [( η 6 ‐benzene)Nb(CO) 3 ] +
Author(s) -
AbuHasanayn Faraj,
Cheong Paul H.Y.,
Oliff Matthew
Publication year - 2002
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20020617)41:12<2120::aid-anie2120>3.0.co;2-5
Subject(s) - singlet state , benzene , maxima and minima , distortion (music) , jahn–teller effect , point (geometry) , scheme (mathematics) , position (finance) , chemistry , energy (signal processing) , computational chemistry , physics , theoretical physics , quantum mechanics , mathematics , organic chemistry , ion , mathematical analysis , optoelectronics , amplifier , geometry , finance , excited state , cmos , economics
Two of each! In the C 3v point group, the 16‐electron [ η 6 ‐(benzene)Nb(CO) 3 ] + fragment has accessible Jahn–Teller‐active singlet and triplet electronic states. Distortion into the C s point group leads to two low‐energy minima and two transition states (see scheme). This finding is shown to have important implications for other unsaturated complexes such as [ η 5 ‐CpMo(CO) 2 Cl] and [ η 5 ‐CpMn(CO) 2 ] (Cp=cyclopentadienyl).